! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl  -5.8828371932   2.1871401956  -2.0957364203
O    3.0260044223   1.5372554232   0.2084742120
O    1.3494930925  -1.6547183386   2.2241153049
N    2.2764061263  -0.5874436118   0.4508711147
N    1.6303953893  -2.8439087817   0.3110322544
N    2.1195487534  -4.8230802373  -0.5144972397
C    2.5168677878   0.6759980262   1.2015777538
C    2.6692487778  -0.4400516750  -0.9720730717
C    2.6317057415   1.0843998519  -1.0615632660
C    1.2459986566   1.2686742109   1.8261254469
C    3.6002307912   0.5045881703   2.2559467592
C    4.0888797057  -0.9403299880  -1.2228569909
C    1.6899415839  -1.0243904451  -1.9803784248
C    0.0326365977   1.3947436017   0.9143982769
C    1.7470602774  -1.6409340714   1.0788370130
C   -1.2160804940   1.8195602058   1.6907105765
C   -2.4108869349   1.9262074055   0.7875640748
C    0.4396258657  -3.4084478829  -0.0727019022
C    2.6059152641  -3.7507008539   0.0405878086
C   -3.1865036936   0.8063436667   0.4970563652
C   -2.7368912659   3.1290483550   0.1670244861
C    0.7697827815  -4.6193274490  -0.5980974129
C   -4.2540421907   0.8757090238  -0.3852356002
C   -3.8009444411   3.2201183766  -0.7182878264
C   -4.5512805218   2.0872842838  -0.9888820355
H    3.3315024732   1.4671204856  -1.8052908416
H    1.6292352668   1.4359097523  -1.3300349329
H    1.5246258357   2.2604085796   2.1948772634
H    0.9784627740   0.6858588496   2.7069955130
H    3.8519504084   1.4751535596   2.6853605909
H    4.5058831227   0.0799886771   1.8220853222
H    3.2725473952  -0.1396009215   3.0688396637
H    4.3795125212  -0.7185829897  -2.2506424486
H    4.1770884287  -2.0170058784  -1.0931310226
H    4.8117250805  -0.4596392342  -0.5629537512
H    0.6539359063  -0.8104558773  -1.7144888799
H    1.8776813540  -0.5573042185  -2.9491234076
H    1.8016776179  -2.0970446550  -2.1239216580
H    0.2174349560   2.1256158481   0.1234849724
H   -0.1782418654   0.4446772030   0.4144574298
H   -1.0321700002   2.7782929698   2.1822339398
H   -1.4114712921   1.0933333858   2.4840971507
H   -0.5050551978  -2.9030012166   0.0396178769
H    3.6389215495  -3.5827240511   0.3012343289
H   -2.9599315762  -0.1429173637   0.9685563894
H   -2.1526510342   4.0176124966   0.3751678884
H    0.1075495014  -5.3526152768  -1.0309806777
H   -4.8453464742  -0.0054468112  -0.5956168059
H   -4.0388271384   4.1647482939  -1.1887916140
*